SCHEMBL9502045

SCHEMBL9502045

CCOC(=O)c1cn(C2CC2)c2cc(N3CC(C)NC(C)C3)c(F)c(N)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
CACNA1F O60840 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GSK3B P49841 3/20 0.42
ADRB2 P07550 1/20 0.41
STAT3 P40763 1/20 0.40
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9502034 1.00 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9500959 0.87 KCNH2 (0.71) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9501991 0.87 KCNH2 (0.71) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9504788 0.86 KCNH2 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9504778 0.86 KCNH2 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9501304 0.84 GSK3B (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9500961 0.81 KCNH2 (0.52) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9502038 0.80 KCNH2 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9502534 0.80 KCNH2 (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9501129 0.80 ADRB2 (0.51) KCNH2HRH3MEN1KMT2AGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed